6-(methylsulfanyl)hexyl-desulfoglucosinolate

Chemical Formula:

C₁₄H₂₇NO₆S₂

Molecular Weight:

369.49 Daltons

Monoisotopic Mass:

369.12797898450003 Daltons

SMILES:

CSCCCCCCC(=NO)SC1(OC(CO)C(O)C(O)C(O)1)

InChI:

1S/C14H27NO6S2/c1-22-7-5-3-2-4-6-10(15-20)23-14-13(19)12(18)11(17)9(8-16)21-14/h9,11-14,16-20H,2-8H2,1H3/b15-10+/t9-,11-,12+,13-,14+/m1/s1

InChIKey:

RTWFLPZWHKDFBK-BXLHIMNRSA-N

Synonyms

Databases

MetaCyc: CPDQT-417

PubChem (CID): 90659361

Seed: cpd26641

MetaNetX: MNXM10374